2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C13H13FN4O2 — CID 135820804

IUPAC2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESC/C(=N\Nc1nc(C)cc(=O)[nH]1)c1cc(F)ccc1O
InChIInChI=1S/C13H13FN4O2/c1-7-5-12(20)16-13(15-7)18-17-8(2)10-6-9(14)3-4-11(10)19/h3-6,19H,1-2H3,(H2,15,16,18,20)/b17-8+
InChIKeyWKBQWMALOHNVBL-CAOOACKPSA-N
MW276.27 g/mol
LogP1.76
Rot. Bonds3

About 2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135820804) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135820804
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC Name2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESC/C(=N\Nc1nc(C)cc(=O)[nH]1)c1cc(F)ccc1O
InChIInChI=1S/C13H13FN4O2/c1-7-5-12(20)16-13(15-7)18-17-8(2)10-6-9(14)3-4-11(10)19/h3-6,19H,1-2H3,(H2,15,16,18,20)/b17-8+
InChIKeyWKBQWMALOHNVBL-CAOOACKPSA-N
XLogP1.76
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135820804) is 2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is C/C(=N\Nc1nc(C)cc(=O)[nH]1)c1cc(F)ccc1O.
What is the InChIKey of 2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is WKBQWMALOHNVBL-CAOOACKPSA-N. The full InChI is InChI=1S/C13H13FN4O2/c1-7-5-12(20)16-13(15-7)18-17-8(2)10-6-9(14)3-4-11(10)19/h3-6,19H,1-2H3,(H2,15,16,18,20)/b17-8+.
What are the key properties of 2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 276.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135820804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).